Illinois Tools: NanoGromacs

By Dairui Chen1, Derrick Kearney2, Jay Mashl1, Nahil Sobh1, Eric Jakobsson1

1. University of Illinois at Urbana-Champaign 2. Purdue University

Implementation of the popular molecular dynamics software suite GROMACS

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Version 1.3.1b - published on 29 Mar 2016

doi:10.4231/D3RV0D21X cite this

Open source: license | download

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Usage

World usage

Location of all "Illinois Tools: NanoGromacs" Users Since Its Posting

Cumulative Simulation Users

271

2 12 20 28 33 40 42 45 48 51 57 63 70 73 76 79 82 83 84 87 91 92 92 93 95 95 96 97 99 100 101 102 104 106 107 107 109 112 115 118 120 121 121 122 125 127 129 131 135 135 138 139 142 142 143 145 145 146 146 146 147 147 147 147 148 150 152 152 153 156 156 158 159 161 161 161 161 161 164 164 165 167 170 170 172 173 175 177 179 179 180 181 182 183 185 188 188 188 191 192 193 193 195 196 200 200 200 202 203 204 204 204 205 205 205 205 208 208 208 209 209 209 209 210 211 212 212 212 213 213 213 214 214 214 215 216 216 218 218 219 221 221 221 222 225 225 228 230 232 234 234 235 237 237 237 237 239 241 242 244 244 245 246 247 247 250 250 250 252 253 255 255 255 257 258 258 262 263 266 271

Users By Organization Type
Type Users
Educational - University 159 (58.67%)
Unidentified 93 (34.32%)
National Lab 6 (2.21%)
Industry 6 (2.21%)
Educational - Pre-College 3 (1.11%)
Government Agency 2 (0.74%)
Unemployed 1 (0.37%)
Educational - Unspec. Level 1 (0.37%)
Users by Country of Residence
Country Users
us UNITED STATES 82 (54.3%)
in INDIA 33 (21.85%)
ca CANADA 7 (4.64%)
fr FRANCE 6 (3.97%)
gb UNITED KINGDOM 5 (3.31%)
bd BANGLADESH 4 (2.65%)
br BRAZIL 4 (2.65%)
it ITALY 4 (2.65%)
hr CROATIA 3 (1.99%)
au AUSTRALIA 3 (1.99%)

Simulation Runs

2,349

6 57 145 254 301 354 363 371 378 403 419 532 572 608 644 1088 1093 1094 1109 1137 1156 1168 1183 1206 1213 1217 1220 1224 1228 1263 1265 1266 1272 1276 1299 1307 1319 1325 1331 1349 1353 1358 1358 1361 1367 1373 1378 1382 1390 1390 1398 1407 1411 1411 1412 1416 1420 1423 1423 1423 1424 1424 1424 1426 1427 1429 1434 1402 1409 1413 1424 1435 1436 1439 1439 1439 1439 1441 1452 1463 1472 1514 1556 1556 1570 1622 1654 1656 1664 1666 1669 1671 1678 1691 1696 1708 1708 1712 1717 1718 1720 1720 1725 1731 1743 1748 1748 1752 1757 1768 1772 1772 1773 1773 1773 1773 1778 1780 1781 1787 1799 1801 1825 1844 1862 1878 1884 1902 1940 1969 1993 1998 1999 2005 2046 2160 2169 2175 2175 2176 2179 2181 2181 2184 2194 2194 2199 2210 2219 2229 2229 2231 2235 2235 2235 2235 2238 2244 2245 2259 2265 2281 2284 2289 2289 2296 2296 2296 2307 2308 2313 2316 2316 2319 2320 2320 2327 2335 2341 2349
Overview
Average Total
Wall Clock Time 2.92 hours 163.86 days
CPU time 30.26 seconds 11.34 hours
Interaction Time 1.33 hours 74.49 days